LAMMPS (19 Mar 2020)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:94)
  using 1 OpenMP thread(s) per MPI task
# bcc iron in a 3d periodic box

units 		metal
dimension 	3
boundary 	p p f
atom_style 	spin

# necessary for the serial algorithm (sametag)
atom_modify 	map array

lattice 	bcc 2.8665
Lattice spacing in x,y,z = 2.8665 2.8665 2.8665
region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
create_box 	1 box
Created orthogonal box = (0 0 0) to (14.3325 14.3325 14.3325)
  1 by 1 by 1 MPI processor grid
create_atoms 	1 box
Created 250 atoms
  create_atoms CPU = 0.00106812 secs

# setting mass, mag. moments, and interactions for bcc iron

mass		1 55.845
set 		group all spin/random 31 2.2
  250 settings made for spin/random
#set 		group all spin 2.2 1.0 1.0 -1.0

pair_style 	spin/exchange 3.5
pair_coeff 	* * exchange 3.4 0.02726 0.2171 1.841

neighbor 	0.1 bin
neigh_modify 	every 10 check yes delay 20

#fix 		1 all precession/spin zeeman 0.001 0.0 0.0 1.0 anisotropy 0.01 1.0 0.0 0.0
fix 		1 all precession/spin anisotropy 0.0001 0.0 0.0 1.0
fix_modify	1 energy yes

timestep	0.0001

compute 	out_mag    all spin
compute 	out_pe     all pe
compute 	out_ke     all ke
compute 	out_temp   all temp

variable 	magx      equal c_out_mag[1]
variable 	magy      equal c_out_mag[2]
variable 	magz      equal c_out_mag[3]
variable 	magnorm   equal c_out_mag[4]
variable 	emag      equal c_out_mag[5]
variable 	tmag      equal c_out_mag[6]

thermo          100
thermo_style    custom step time v_magx v_magz v_magnorm v_tmag etotal
thermo_modify   format float %20.15g

compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
dump 		1 all custom 100 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]

min_style	spin
min_modify 	alpha_damp 1.0 discrete_factor 10.0
minimize        1.0e-10 1.0e-10 1000 100
WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (../min.cpp:190)
WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:88)
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 3.6
  ghost atom cutoff = 3.6
  binsize = 1.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair spin/exchange, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.848 | 6.848 | 6.848 Mbytes
Step Time v_magx v_magz v_magnorm v_tmag TotEng 
       0                    0  -0.0285071136621457 -0.00948990815281275   0.0764569750905723     5048.56076237679   -0.354774619362398 
     100                 0.01   -0.584953861980204  -0.0517163256267969    0.999992350892306 6.25556948778472e-05    -25.2894057771132 
     200                 0.02   -0.584864756506845  -0.0547143484057153    0.999999990495506 3.49782260454062e-06     -25.289435991418 
     300                 0.03     -0.5847600493607  -0.0578846348986585    0.999999999988174 3.83095226805016e-06    -25.2894449433165 
     400                 0.04   -0.584642875238893  -0.0612373075362701    0.999999999999986 4.28575832708226e-06    -25.2894549277735 
     500                 0.05   -0.584511765589529  -0.0647826190376231                    1 4.79421486949086e-06    -25.2894660972709 
     600                 0.06   -0.584365074206159  -0.0685313536438759                    1 5.36242072641834e-06    -25.2894785912384 
     700                 0.07   -0.584200963215273   -0.072494846958872                    1 5.99725249459222e-06    -25.2894925651485 
     800                 0.08   -0.584017381477007  -0.0766850043611195    0.999999999999999 6.70634191991825e-06     -25.289508192325 
     900                 0.09   -0.583812040722351  -0.0811143180675364    0.999999999999999 7.49814943594148e-06    -25.2895256658925 
    1000                  0.1   -0.583582389243979  -0.0857958823565731    0.999999999999998 8.38204259112222e-06    -25.2895452009133 
Loop time of 0.199799 on 1 procs for 1000 steps with 250 atoms

100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = max iterations
  Energy initial, next-to-last, final = 
       -0.354774619362     -25.2895449946     -25.2895452009
  Force two-norm initial, final = 0 0
  Force max component initial, final = 0 0
  Final line search alpha, max atom move = 0 0
  Iterations, force evaluations = 1000 1000

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.1795     | 0.1795     | 0.1795     |   0.0 | 89.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0056038  | 0.0056038  | 0.0056038  |   0.0 |  2.80
Output  | 0.0074773  | 0.0074773  | 0.0074773  |   0.0 |  3.74
Modify  | 0.0016823  | 0.0016823  | 0.0016823  |   0.0 |  0.84
Other   |            | 0.005533   |            |       |  2.77

Nlocal:    250 ave 250 max 250 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    315 ave 315 max 315 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  3200 ave 3200 max 3200 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 3200
Ave neighs/atom = 12.8
Neighbor list builds = 0
Dangerous builds = 0
Total wall time: 0:00:00
